4-(4-chlorophenyl)sulfonyl-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: N-(3-allyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-4-(4-chlorophenyl)sulfonyl-butanamide CAS Name: 4-(4-chlorophenyl)sulfonyl-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(4-chlorophenyl)sulfonyl-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-(3-allyl-6-mesyl-1,3-benzothiazol-2-ylidene)-4-(4-chlorophenyl)sulfonyl-butyramide Formula: C21H21ClN2O5S3 MolecularWeight: 513.04984

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)Cl)S2)CC=C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)Cl)S2)CC=C

InChI

InChI=1S/C21H21ClN2O5S3/c1-3-12-24-18-11-10-17(31(2,26)27)14-19(18)30-21(24)23-20(25)5-4-13-32(28,29)16-8-6-15(22)7-9-16/h3,6-11,14H,1,4-5,12-13H2,2H3